ChemSpider 2D Image | 1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-beta-carboline | C34H43N7

1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC34H43N7
  • Average mass549.752 Da
  • Monoisotopic mass549.357971 Da
  • ChemSpider ID121858312

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1-Cyclohexyl-2-{2-(2-methyl-2-propanyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
1-Cyclohexyl-2-{2-(2-méthyl-2-propanyl)-6-[4-(2-pyridinyl)-1-pipérazinyl]-4-pyrimidinyl}-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole, 1-cyclohexyl-2-[2-(1,1-dimethylethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-2,3,4,9-tetrahydro- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 415.8±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 165.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 10.54
ACD/KOC (pH 5.5): 19.07
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 23.41
ACD/KOC (pH 7.4): 42.36
Polar Surface Area: 64 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 457.9±3.0 cm3

Click to predict properties on the Chemicalize site


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